6-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C17H18F2N4O2 — CID 136563015

IUPAC6-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCn1[nH]c(=O)c2c1CN(C1CCN(c3c(F)cccc3F)C1=O)CC2
InChIInChI=1S/C17H18F2N4O2/c1-21-14-9-22(7-5-10(14)16(24)20-21)13-6-8-23(17(13)25)15-11(18)3-2-4-12(15)19/h2-4,13H,5-9H2,1H3,(H,20,24)
InChIKeyGKOWYLPSMBDCEH-UHFFFAOYSA-N
MW348.35 g/mol
LogP1.16
Rot. Bonds2

About 6-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

6-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 136563015) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is 6-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID136563015
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC Name6-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCn1[nH]c(=O)c2c1CN(C1CCN(c3c(F)cccc3F)C1=O)CC2
InChIInChI=1S/C17H18F2N4O2/c1-21-14-9-22(7-5-10(14)16(24)20-21)13-6-8-23(17(13)25)15-11(18)3-2-4-12(15)19/h2-4,13H,5-9H2,1H3,(H,20,24)
InChIKeyGKOWYLPSMBDCEH-UHFFFAOYSA-N
XLogP1.16
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 136563015) is 6-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is Cn1[nH]c(=O)c2c1CN(C1CCN(c3c(F)cccc3F)C1=O)CC2.
What is the InChIKey of 6-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is GKOWYLPSMBDCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c1-21-14-9-22(7-5-10(14)16(24)20-21)13-6-8-23(17(13)25)15-11(18)3-2-4-12(15)19/h2-4,13H,5-9H2,1H3,(H,20,24).
What are the key properties of 6-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
6-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 348.35 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 136563015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).